Vitas-M small molecule compound
[(5Z)-5-(5-benzyl-2-hydroxy-3-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STL428124
SMILES OC(=O)CN1C(=S)S/C(=C\c2cc(Cc3ccccc3)cc(c2O)[N+](=O)[O-])/C1=O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H14N2O6S2 MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N2O6S2/c22-16(23)10-20-18(25)15(29-19(20)28)9-13-7-12(6-11-4-2-1-3-5-11)8-14(17(13)24)21(26)27/h1-5,7-9,24H,6,10H2,(H,22,23)/b15-9-InChIKey
AYYZGBLLDDNXII-DHDCSXOGSA-NSynonyms
((5Z)5(5benzyl2hydroxy3nitrobenzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((5benzyl2hydroxy3nitrophenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C=C3C(=O)N(C(=S)S3)CC(=O)O)O)(N+)(=O)(O)
InChI=1SC19H14N2O6S2c2216(23)102018(25)15(2919(20)28)913712(6114213511)814(17(13)24)21(26)27h157924H610H2(H2223)b159
MFCD30710577
OC(=O)CN1C(=S)SC(=Cc2cc(Cc3ccccc3)cc(c2O)(N+)(=O)(O))C1=O
ZINC000083328267
ZINC83328267
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